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Chemical ID: 6483012

Chemical ID:

6483012

Name [?]:

N-(1-phenylethyl)-1-(4-pyridylmethyl)piperidine-4-carboxamide

SMILES [?]:

CC(c1ccccc1)NC(=O)C2CCN(CC2)Cc3ccncc3

InChi [?]:

InChI=1/C20H25N3O/c1-16(18-5-3-2-4-6-18)22-20(24)19-9-13-23(14-10-19)15-17-7-11-21-12-8-17/h2-8,11-12,16,19H,9-10,13-15H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,8,20,24,13,17,21,23,14,16,18,2,19,3,12,10,22,9,15,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24cCCCCCCCCNCOCCCNCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4405
Area:	554.682
Solvation:	-3.42658
Coulombic:	-31.2906

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.432
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.46
LogP (Chemaxon):	2.24

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value